| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 10 | No |
Popular Name: 1-Iodo-2-nitrobenzene 1-Iodo-2-nitrobenzene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 609-73-4 , [609-73-4]
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.93 | 0.91 | -7.95 | 0 | 3 | 0 | 46 | 249.007 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 163 / 18 | TCI |
| BP [°C] | 288 - 289 | Acros Organics |
| Boiling_Point | 288-289? | Alfa-Aesar |
| Boiling_Point | 288-289° | Alfa-Aesar |
| Mp [°C] | 47 - 52 | Acros Organics |
| Melting_Point | 48-52? | Alfa-Aesar |
| Melting_Point | 48-52° | Alfa-Aesar |
| MP | 49 - 51 | Enamine Building Blocks |
| MP | 49-51° | Matrix Scientific |
| MP | 49...51 | Enamine Building Blocks |
| MP | 52 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| H phrase | H312: Harmful in contact with skin | Acros Organics |
| H phrase | H312: Harmful in contact with skin; H332: Harmful if inhaled; H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P260: Do not breathe dust | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.